Better Pourbaix diagrams for three or more elements


#1

In the case of Pourbaix diagrams for three or more elements, weights of multi-entries were incorrectly computed. Weights were fixed by using a more robust algorithm based on the Rouche-Capelli Theorem.

You can review changes made to the pymatgen.analysis.pourbaix.maker module here. The website’s Pourbaix app now reflects these improvements.

Best,
Arunima